BDBM50152575 2,4-Dioxo-4-o-tolyl-butyric acid::CHEMBL1829214::CHEMBL185898::Sacchettini_1

SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O

InChI Key InChIKey=AVVYWVLNDGDANA-UHFFFAOYSA-N

Data  1 KI  3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50152575   

TargetPA/PB1(Hepatitis C virus)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50152575(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
Affinity DataKi:  2.00E+3nMAssay Description:Binding affinity to PA N-terminal domain (Competitive)More data for this Ligand-Target Pair
TargetDNA excision repair protein ERCC-5(Homo sapiens (Human))
Athersys Inc

Curated by ChEMBL
LigandPNGBDBM50152575(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
Affinity DataIC50: 5.45E+4nMAssay Description:Concentration required for 50% inhibition of Xeroderma pigmentosum GMore data for this Ligand-Target Pair
TargetPA/PB1(Hepatitis C virus)
University of Tennessee Health Science Center

Curated by ChEMBL
LigandPNGBDBM50152575(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
Affinity DataEC50:  6.80E+3nMAssay Description:Plaque growth inhibitionMore data for this Ligand-Target Pair
TargetGlcB(Homo sapiens (Human))
D3R

LigandPNGBDBM50152575(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
Affinity DataIC50: 1.10E+3nMAssay Description:DNTB-Coupled_Enzyme_AssayMore data for this Ligand-Target Pair
Target InfoPDB
GoogleScholar
TargetFlap endonuclease 1(Homo sapiens (Human))
Athersys Inc

Curated by ChEMBL
LigandPNGBDBM50152575(2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...)
Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)
Affinity DataIC50: 1.29E+4nMAssay Description:Concentration required for 50% inhibition of Flap endonuclease-1More data for this Ligand-Target Pair